Illinois Tools: NanoGromacs

By Dairui Chen1, Derrick Kearney2, Jay Mashl1, Nahil Sobh1, Eric Jakobsson1

1. University of Illinois at Urbana-Champaign 2. Purdue University

Implementation of the popular molecular dynamics software suite GROMACS

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Version 1.3.1b - published on 29 Mar 2016

doi:10.4231/D3RV0D21X cite this

Open source: license | download

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Usage

World usage

Location of all "Illinois Tools: NanoGromacs" Users Since Its Posting

Simulation Users

205

2 12 20 28 33 40 42 45 48 51 57 63 70 73 76 79 82 83 84 87 91 92 92 93 95 95 96 97 99 100 101 102 104 106 107 107 109 112 115 118 120 121 121 122 125 127 129 131 135 135 138 139 142 142 143 145 145 146 146 146 147 147 147 147 148 150 152 152 153 156 156 158 159 161 161 161 161 161 164 164 165 167 170 170 172 173 175 177 179 179 180 181 182 183 185 188 188 188 191 192 193 193 195 196 200 200 200 202 203 204 204 204 205 205 205 205

Users By Organization Type
Type Users
Educational - University 155 (75.61%)
Unidentified 31 (15.12%)
National Lab 6 (2.93%)
Industry 6 (2.93%)
Educational - Pre-College 3 (1.46%)
Government Agency 2 (0.98%)
Unemployed 1 (0.49%)
Educational - Unspec. Level 1 (0.49%)
Users by Country of Residence
Country Users
us UNITED STATES 80 (54.05%)
in INDIA 32 (21.62%)
ca CANADA 7 (4.73%)
fr FRANCE 6 (4.05%)
gb UNITED KINGDOM 5 (3.38%)
bd BANGLADESH 4 (2.7%)
br BRAZIL 4 (2.7%)
it ITALY 4 (2.7%)
hr CROATIA 3 (2.03%)
au AUSTRALIA 3 (2.03%)

Simulation Runs

1,773

6 57 145 254 301 354 363 371 378 403 419 532 572 608 644 1088 1093 1094 1109 1137 1156 1168 1183 1206 1213 1217 1220 1224 1228 1263 1265 1266 1272 1276 1299 1307 1319 1325 1331 1349 1353 1358 1358 1361 1367 1373 1378 1382 1390 1390 1398 1407 1411 1411 1412 1416 1420 1423 1423 1423 1424 1424 1424 1426 1427 1429 1434 1402 1409 1413 1424 1435 1436 1439 1439 1439 1439 1441 1452 1463 1472 1514 1556 1556 1570 1622 1654 1656 1664 1666 1669 1671 1678 1691 1696 1708 1708 1712 1717 1718 1720 1720 1725 1731 1743 1748 1748 1752 1757 1768 1772 1772 1773 1773 1773 1773
Overview
Average Total
Wall Clock Time 3.33 hours 141.8 days
CPU time 39.38 seconds 11.18 hours
Interaction Time 1.37 hours 58.4 days